Dataset

Trichloronat

This MassBank record with Accession MSBNK-Eawag-EQ01141105 contains the MS2 mass spectrum of Trichloronat with the InChIkey ANIAQSUBRGXWLS-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C10H12Cl3O2PS/c1-3-14-16(17,4-2)15-10-6-8(12)7(11)5-9(10)13/h5-6H,3-4H2,1-2H3
SMILES CCOP(=S)(CC)OC1=CC(=C(C=C1Cl)Cl)Cl
InChI Key ANIAQSUBRGXWLS-UHFFFAOYSA-N
Molecular Formula C10H12Cl3O2PS
Exact Mass 331.936 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01141105
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T13:58:37.527833
MetadataModified 2025-02-09T10:00:22.895965
MetadataPublished 2023-04-27
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
9477 PubChem
327-98-0 ACToR
SCHEMBL117717 SureChEMBL
J5.674J Nikkaji
55228MJ5QM FDA SRS
DTXSID9038420 EPA CompTox Dashboard
82150 ChEBI
CHEMBL1875361 ChEMBL
C19018 KEGG Ligand
The data in this table is sourced from UniChem at EBI.